ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine

C12H21N3O3 — CID 142273744

IUPACethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine
SMILESCC.Cc1ccc(NN)cc1.O=CNCC(=O)O
InChIInChI=1S/C7H10N2.C3H5NO3.C2H6/c1-6-2-4-7(9-8)5-3-6;5-2-4-1-3(6)7;1-2/h2-5,9H,8H2,1H3;2H,1H2,(H,4,5)(H,6,7);1-2H3
InChIKeyALHPYRQVZSFGDU-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.12
Rot. Bonds4

About ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine

ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine (PubChem CID 142273744) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine.

Molecular Properties

Compound Nameethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine
PubChem CID142273744
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Nameethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine
SMILESCC.Cc1ccc(NN)cc1.O=CNCC(=O)O
InChIInChI=1S/C7H10N2.C3H5NO3.C2H6/c1-6-2-4-7(9-8)5-3-6;5-2-4-1-3(6)7;1-2/h2-5,9H,8H2,1H3;2H,1H2,(H,4,5)(H,6,7);1-2H3
InChIKeyALHPYRQVZSFGDU-UHFFFAOYSA-N
XLogP1.12
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-formamidoacetic acid;2-methyldibenzofuran
CID 169198330
N,N-diethylethanamine;(4-methylphenyl)hydrazine;hydrochloride
CID 86685442
2-aminoacetic acid;ethane;1,4-xylene
CID 143195135
2-formamido-N-[4-(methylamino)phenyl]acetamide
CID 178056431
ethane;N-(4-methylphenyl)formamide
CID 142066401
ethane;[4-(4-hydrazinylphenyl)phenyl]hydrazine
CID 157145952
ethane;1-(4-methylanilino)propan-2-one
CID 143614458
2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid
CID 146503139
ethane;4-methylbenzohydrazide
CID 143952809
4-methylbenzenesulfinic acid;phenylhydrazine
CID 121004211
ethane;4-methylaniline;propanoic acid
CID 143544103
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598

Frequently Asked Questions

What is the IUPAC name of ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine?
The IUPAC name of ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine (CID 142273744) is ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine.
What is the SMILES notation for ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine?
The canonical SMILES for ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine is CC.Cc1ccc(NN)cc1.O=CNCC(=O)O.
What is the InChIKey of ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine?
The InChIKey is ALHPYRQVZSFGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C3H5NO3.C2H6/c1-6-2-4-7(9-8)5-3-6;5-2-4-1-3(6)7;1-2/h2-5,9H,8H2,1H3;2H,1H2,(H,4,5)(H,6,7);1-2H3.
What are the key properties of ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine?
ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine has a molecular weight of 255.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-formamidoacetic acid;(4-methylphenyl)hydrazine is sourced from PubChem (CID 142273744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).